Cas no 154591-12-5 (5-Bromo-1,3-dimethyl-2-[(octan-2-yl)oxy]benzene)
![5-Bromo-1,3-dimethyl-2-[(octan-2-yl)oxy]benzene structure](https://ossimg.kuujia.com/scimg/155000/154591-12-5x500.png)
154591-12-5 structure
Product Name:5-Bromo-1,3-dimethyl-2-[(octan-2-yl)oxy]benzene
CAS No:154591-12-5
MF:C16H25BrO
MW:313.273104429245
CID:2779336
PubChem ID:58625344
Update Time:2025-04-21
5-Bromo-1,3-dimethyl-2-[(octan-2-yl)oxy]benzene Chemical and Physical Properties
Names and Identifiers
-
- 5-Bromo-1,3-dimethyl-2-[(octan-2-yl)oxy]benzene
- 154591-12-5
- DTXSID90729551
- SCHEMBL13986750
-
- Inchi： 1S/C16H25BrO/c1-5-6-7-8-9-14(4)18-16-12(2)10-15(17)11-13(16)3/h10-11,14H,5-9H2,1-4H3
- InChI Key： LJOGYZFMNWCXMA-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)C(=C(C)C=1)OC(C)CCCCCC
Computed Properties
- Exact Mass: 312.10888Da
- Monoisotopic Mass: 312.10888Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.6
- Topological Polar Surface Area: 9.2?2
5-Bromo-1,3-dimethyl-2-[(octan-2-yl)oxy]benzene Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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